Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.52 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.43 |
| ▸ | KIF11 | P52732 | 2/20 | 0.41 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | FDPS | P14324 | 1/20 | 0.38 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL11374176 | 0.82 | LTA4H (0.53) | KIF11LMNASMN1; SMN2IDO1 | |
| SCHEMBL5145585 | 0.82 | CYP1A2 (0.48) | CYP1A2CYP2C9CYP2C19SLC6A2TAAR1 | |
| SCHEMBL11248544 | 0.82 | CYP1A2 (0.48) | CYP1A2CYP2C9CYP2C19SLC6A2TAAR1 | |
| SCHEMBL765190 | 0.82 | CYP1A2 (0.48) | CYP1A2CYP2C9CYP2C19SLC6A2TAAR1 | |
| SCHEMBL238218 | 0.82 | CYP1A2 (0.48) | CYP1A2CYP2C9CYP2C19SLC6A2TAAR1 | |
| SCHEMBL9614595 | 0.82 | CYP1A2 (0.54) | CYP1A2CYP2C9CYP2C19SLC6A2TAAR1 | |
| SCHEMBL4454996 | 0.80 | CYP1A2 (0.47) | CYP1A2CYP2C9CYP2C19SLC6A2TAAR1 | |
| SCHEMBL5145593 | 0.79 | CYP1A2 (0.50) | CYP1A2CYP2C9CYP2C19SLC6A2TAAR1 | |
| SCHEMBL5946723 | 0.77 | CYP1A2 (0.58) | CYP1A2CYP2C9CYP2C19SLC6A2TAAR1 | |
| SCHEMBL23633166 | 0.77 | CYP1A2 (0.44) | CYP1A2CYP2C9CYP2C19SLC6A2TAAR1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4973735-A | INSECTICIDE | SCHERING AKTIENGESELLSCHAFT (DE) | 1990-11-27 | — | — | US | claimed |
| EP-1305026-A2 | BARBITURIC ACID ANALOGS AS THERAPEUTIC AGENTS | Novuspharma S.p.A. (IT) | 2003-05-02 | — | — | EP | disclosed |
| WO-2001093841-A2 | BARBITURIC ACID ANALOGS AS THERAPEUTIC AGENTS | NOVUSPHARMA S.P.A. (IT) | 2001-12-13 | — | — | WO | disclosed |